(4aS,6aS,6bR,8aR,9S,12aR,12bR,14bS)-9-Acetoxymethyl-2,2,6a,6b,9,12a-hexamethyl-10-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid methyl ester | 102865-38-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (4aS,6aS,6bR,8aR,9S,12aR,12bR,14bS)-9-Acetoxymethyl-2,2,6a,6b,9,12a-hexamethyl-10-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid methyl ester
• 英文别名: methyl (4aS,6aR,6aS,6bR,8aR,9S,12aR,14bS)-9-(acetyloxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate
• CAS: 102865-38-3
• 化学式: C₃₃H₅₀O₅
• 分子量: 526.757
• InChiKey: STBANLLDGWIJHR-MQXMDJRDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.07
• 重原子数：
  38.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  69.67
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (4aS,6aS,6bR,8aR,9S,12aR,12bR,14bS)-9-Acetoxymethyl-2,2,6a,6b,9,12a-hexamethyl-10-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid methyl ester 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 4.0h， 生成 (4aS,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-9-Acetoxymethyl-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid methyl ester
  参考文献：
  名称：

  Kuo, Yueh-Hsiung; Lin, Yun-Lian; Lee, Shu-Mei, Chemical and pharmaceutical bulletin, 1988, vol. 36, # 9, p. 3619 - 3622

  摘要：

  DOI：
• 作为产物：
  描述：

  (4aS,6aS,6bR,8aR,9S,10R,12aR,12bR,14bS)-9-Acetoxymethyl-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid methyl ester 在 jones reagent 作用下， 以 丙酮 为溶剂， 生成 (4aS,6aS,6bR,8aR,9S,12aR,12bR,14bS)-9-Acetoxymethyl-2,2,6a,6b,9,12a-hexamethyl-10-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid methyl ester
  参考文献：
  名称：

  Kuo, Yueh-Hsiung; Lin, Yun-Lian; Lee, Shu-Mei, Chemical and pharmaceutical bulletin, 1988, vol. 36, # 9, p. 3619 - 3622

  摘要：

  DOI：

文献信息

• KUO, YUEH-HSIUNG;LIN, YUN-LIAN;LEE, SHU-MEI, CHEM. AND PHARM. BULL., 36,(1988) N 9, C. 3619-3622
  作者：KUO, YUEH-HSIUNG、LIN, YUN-LIAN、LEE, SHU-MEI

  DOI：——

  日期：——